N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine

C14H21NO — CID 62596266

IUPACN-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
SMILESCNCC1(c2cccc(C)c2)CCOCC1
InChIInChI=1S/C14H21NO/c1-12-4-3-5-13(10-12)14(11-15-2)6-8-16-9-7-14/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyWPHUVGZNAQDLPA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds3

About N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine

N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine (PubChem CID 62596266) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
PubChem CID62596266
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
SMILESCNCC1(c2cccc(C)c2)CCOCC1
InChIInChI=1S/C14H21NO/c1-12-4-3-5-13(10-12)14(11-15-2)6-8-16-9-7-14/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyWPHUVGZNAQDLPA-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine
CID 82475681
2-iodo-4-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528479
5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
CID 46968329
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750
N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine
CID 65014530
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821
1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine
CID 62595536
N-methyl-1-[2-methyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 66423749

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine (CID 62596266) is N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine is CNCC1(c2cccc(C)c2)CCOCC1.
What is the InChIKey of N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine?
The InChIKey is WPHUVGZNAQDLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-4-3-5-13(10-12)14(11-15-2)6-8-16-9-7-14/h3-5,10,15H,6-9,11H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine?
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine is sourced from PubChem (CID 62596266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).